Gibbs-Duhem integration: Difference between revisions
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m (New page: The so-called Gibbs-Duhem Integration referes to a number of methods that couple molecular simulation techniques with thermodynamic equations in order to draw phase coexistence lines.) |
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molecular simulation techniques with thermodynamic equations in order to draw | molecular simulation techniques with thermodynamic equations in order to draw | ||
phase coexistence lines. | phase coexistence lines. | ||
The method was proposed by Kofke (Ref 1-2) | |||
== References == | |||
#[http://dx.doi.org/10.1080/00268979300100881 David A. Kofke, Gibbs-Duhem integration: a new method for direct evaluation of phase coexistence by molecular simulation, Mol. Phys. '''78''' , pp 1331 - 1336 (1993)] | |||
#[http://dx.doi.org/10.1063/1.465023 David A. Kofke, Direct evaluation of phase coexistence by molecular simulation via integration along the saturation line, J. Chem. Phys. '''98''' ,pp. 4149-4162 (1993) ] | |||
Revision as of 12:16, 2 March 2007
The so-called Gibbs-Duhem Integration referes to a number of methods that couple molecular simulation techniques with thermodynamic equations in order to draw phase coexistence lines.
The method was proposed by Kofke (Ref 1-2)
References
- David A. Kofke, Gibbs-Duhem integration: a new method for direct evaluation of phase coexistence by molecular simulation, Mol. Phys. 78 , pp 1331 - 1336 (1993)
- David A. Kofke, Direct evaluation of phase coexistence by molecular simulation via integration along the saturation line, J. Chem. Phys. 98 ,pp. 4149-4162 (1993)